[gmx-developers] Possible problems with findFFTW

[Alexey Shvetsov]

Hi all!

With tag 4.6-beta1 i noticed that on 64bit multilib systems gromacs 
trying to find 32bit versions first and only then 64bit versions thats 
why it failes

-- Enabling SSE4.1 Gromacs acceleration, and it will help compiler 
optimization.
-- Found PkgConfig: /usr/bin/pkg-config (found version "0.27.1")
-- checking for module 'fftw3f'
--   package 'fftw3f' not found
-- Looking for fftwf_plan_r2r_1d in /usr/lib32/libfftw3f.so
-- Looking for fftwf_plan_r2r_1d in /usr/lib32/libfftw3f.so - not found
CMake Error at cmake/FindFFTW.cmake:102 (message):
   Could not find fftwf_plan_r2r_1d in /usr/lib32/libfftw3f.so, take a 
look at
   the error message in
   
/var/tmp/portage/sci-chemistry/gromacs-4.6.9999/work/gromacs-4.6.9999_float/CMakeFiles/CMakeError.log
   to find out what went wrong.  If you are using a static lib (.a) make 
sure
   you have specified all dependencies of fftw3f in FFTWF_LIBRARY by 
hand
   (e.g.  -DFFTWF_LIBRARY='/path/to/libfftw3f.so;/path/to/libm.so') !
Call Stack (most recent call first):
   CMakeLists.txt:948 (find_package)

I have both versions present on this system

x201 ~ # ls -l  /usr/lib*/libfftw3f.so.3
lrwxrwxrwx 1 root root 18 May 25  2012 /usr/lib/libfftw3f.so.3 -> 
libfftw3f.so.3.3.2
lrwxrwxrwx 1 root root 18 Nov  9 11:10 /usr/lib32/libfftw3f.so.3 -> 
libfftw3f.so.3.2.4
lrwxrwxrwx 1 root root 18 May 25  2012 /usr/lib64/libfftw3f.so.3 -> 
libfftw3f.so.3.3.2

PS cmake version is 2.8.10.2


-- 
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, 
Gatchina, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru